2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine

C12H19NO3S — CID 99831600

IUPAC2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine
SMILESCCc1nc(C)ccc1OCCCS(C)(=O)=O
InChIInChI=1S/C12H19NO3S/c1-4-11-12(7-6-10(2)13-11)16-8-5-9-17(3,14)15/h6-7H,4-5,8-9H2,1-3H3
InChIKeyQVCOCGNCCSFLHZ-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.77
Rot. Bonds6

About 2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine

2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine (PubChem CID 99831600) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine.

Molecular Properties

Compound Name2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine
PubChem CID99831600
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine
SMILESCCc1nc(C)ccc1OCCCS(C)(=O)=O
InChIInChI=1S/C12H19NO3S/c1-4-11-12(7-6-10(2)13-11)16-8-5-9-17(3,14)15/h6-7H,4-5,8-9H2,1-3H3
InChIKeyQVCOCGNCCSFLHZ-UHFFFAOYSA-N
XLogP1.77
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethoxy]ethanesulfonyl chloride
CID 103176066
N-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150598
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-ol
CID 103175334
3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine
CID 103174559
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 103174470
2-(bromomethyl)-3-(2-ethylsulfonylethoxy)-6-methylpyridine
CID 79169208
3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid
CID 103174229
N-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79158766
N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]-2-methoxyethanamine
CID 103175724
2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
CID 103175707
2-(bromomethyl)-6-methyl-3-(2-propan-2-ylsulfonylethoxy)pyridine
CID 106726592
N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]-2-methylbutan-2-amine
CID 103175670

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine?
The IUPAC name of 2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine (CID 99831600) is 2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine.
What is the SMILES notation for 2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine?
The canonical SMILES for 2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine is CCc1nc(C)ccc1OCCCS(C)(=O)=O.
What is the InChIKey of 2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine?
The InChIKey is QVCOCGNCCSFLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-4-11-12(7-6-10(2)13-11)16-8-5-9-17(3,14)15/h6-7H,4-5,8-9H2,1-3H3.
What are the key properties of 2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine?
2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine has a molecular weight of 257.35 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine is sourced from PubChem (CID 99831600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).